Geometry & MOs

Info

ID:	154497
PubChem CID:	56313949
Reduced:	BrO2N6H21C23 (1)
Stoich.:	AB2C6D21E23 (1)
Weight, g/mol:	439.05315
ΔH_f, kcal/mol:	32.87
Dipole, Da:	5.06
IP(EA), eV:	-9.28(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-3-(methoxymethyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C2C=NN(C2=N1)C(C)C)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations