Geometry & MOs

Info

ID:	343799
PubChem CID:	127266975
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	323.180919
ΔH_f, kcal/mol:	-92.62
Dipole, Da:	2.01
IP(EA), eV:	-7.84(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)NC2=CC=C(C=C2)NCC3CCCCO3

DOS

IR

Vibrations