Geometry & MOs

Info

ID:	431339
PubChem CID:	135171414
Reduced:	O3N6C26H29 (2)
Stoich.:	A3B6C26D29 (2)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-46.86
Dipole, Da:	3.8
IP(EA), eV:	-8.73(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[3-(3-amino-2-methoxyphenyl)-2-methylphenyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)N[C@@H]4CCC5=C(C4)C=CC(=N5)CC6=CC(=NN=C6N7CCC(CC7)OC8=CN=C(C=C8)OC)C(=O)NC9CCC1=C(C9)C=CC=N1

DOS

IR

Vibrations