Geometry & MOs

Info

ID:	343587
PubChem CID:	127266760
Reduced:	N5C13H19 (1)
Stoich.:	A5B13C19 (1)
Weight, g/mol:	333.187484
ΔH_f, kcal/mol:	67.33
Dipole, Da:	5.37
IP(EA), eV:	-9.76(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(thiepan-4-ylamino)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1)CCNC(C)CN2C=NC=N2

DOS

IR

Vibrations