Geometry & MOs

Info

ID:	429215
PubChem CID:	135169080
Reduced:	O3N5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	399.96089
ΔH_f, kcal/mol:	-56.29
Dipole, Da:	2.96
IP(EA), eV:	-8.94(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-bromo-4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-5-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CC[C@H](C1CC1)NC(=O)N2[C@@H]([C@H](C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=CC=CC=C4

DOS

IR

Vibrations