Geometry & MOs

Info

ID:	371171
PubChem CID:	127343991
Reduced:	O2N5C16H25 (1)
Stoich.:	A2B5C16D25 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-79.84
Dipole, Da:	2.62
IP(EA), eV:	-9.33(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CCNC(=O)N2CCN3C=CN=C3C2

DOS

IR

Vibrations