Geometry & MOs

Info

ID:	343832
PubChem CID:	127267008
Reduced:	N3O3C18H31 (1)
Stoich.:	A3B3C18D31 (1)
Weight, g/mol:	337.196569
ΔH_f, kcal/mol:	-146.09
Dipole, Da:	5.93
IP(EA), eV:	-9.1(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1-(2,2-difluorocyclopropyl)ethylamino]phenyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1)CCNCC(CCOC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations