Geometry & MOs

Info

ID:	247322
PubChem CID:	103070085
Reduced:	ON2C14H28 (1)
Stoich.:	AB2C14D28 (1)
Weight, g/mol:	251.199762
ΔH_f, kcal/mol:	-27.01
Dipole, Da:	1.35
IP(EA), eV:	-8.73(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CCNCC(=C)CN(CCOC)C(C)C1CC1

DOS

IR

Vibrations