Geometry & MOs

Info

ID:	416779
PubChem CID:	135090342
Reduced:	N2O4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	302.093439
ΔH_f, kcal/mol:	-135.62
Dipole, Da:	9.01
IP(EA), eV:	-8.94(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(5-methoxy-1H-indol-2-yl)methyl]-2-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1OC)CN2C[C@@H]3COC[C@H](C2)NC3=O)OC

DOS

IR

Vibrations