Geometry & MOs

Info

ID:	343823
PubChem CID:	127266999
Reduced:	F2O2N3C17H27 (1)
Stoich.:	A2B2C3D17E27 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-207.33
Dipole, Da:	3.95
IP(EA), eV:	-9.37(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(1-methoxycyclopropyl)methylamino]phenyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1)CCNCC(CC(F)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations