Geometry & MOs

Info

ID:	71169
PubChem CID:	48414390
Reduced:	N2O3C24H32 (1)
Stoich.:	A2B3C24D32 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	-103.66
Dipole, Da:	4.58
IP(EA), eV:	-8.81(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CCC(=O)NC(CN2CCOCC2)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations