Geometry & MOs

Info

ID:	357112
PubChem CID:	127293338
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	387.171355
ΔH_f, kcal/mol:	-120.29
Dipole, Da:	4.5
IP(EA), eV:	-8.24(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(CN1CCN(CC1)C)NC(=O)COC2=CC=CC3=C2OC(C3)(C)C

DOS

IR

Vibrations