Geometry & MOs

Info

ID:	284440
PubChem CID:	104046539
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	313.03136
ΔH_f, kcal/mol:	-99.71
Dipole, Da:	5.99
IP(EA), eV:	-9.27(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-bromo-4-methoxyanilino)-2-cyclopropylacetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCCNC(C2CC2)C(=O)OC

DOS

IR

Vibrations