Geometry & MOs

Info

ID:	158014
PubChem CID:	56459404
Reduced:	ON2C7H10 (3)
Stoich.:	AB2C7D10 (3)
Weight, g/mol:	445.272927
ΔH_f, kcal/mol:	-99.7
Dipole, Da:	1.18
IP(EA), eV:	-9.12(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-adamantylamino)phenyl]-3-(morpholin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)N2C=CC=C2C(=O)NCCNC3=NC=CC=N3

DOS

IR

Vibrations