Geometry & MOs

Info

ID:	76286
PubChem CID:	48424731
Reduced:	NO3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	395.10961
ΔH_f, kcal/mol:	-100.36
Dipole, Da:	2.16
IP(EA), eV:	-8.92(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-2-(cyclopropylmethoxy)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)OC2=CC=CC=C2)OCC3CC3

DOS

IR

Vibrations