Geometry & MOs

Info

ID:	49271
PubChem CID:	11532546
Reduced:	O2N8C23H32 (1)
Stoich.:	A2B8C23D32 (1)
Weight, g/mol:	453.181919
ΔH_f, kcal/mol:	30.51
Dipole, Da:	5.26
IP(EA), eV:	-8.21(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-tert-butylphenyl)-3-[(3-chloropyridin-2-yl)-(2-hydroxyethyl)amino]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CCC1=NC(=CC=C1)NC2=NC(=NC3=C2N(N=C3COC)CCOCC)N4C[C@@H]5C[C@H]4CN5

DOS

IR

Vibrations