Geometry & MOs

Info

ID:	178938
PubChem CID:	76403485
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	340.211055
ΔH_f, kcal/mol:	-31.3
Dipole, Da:	6.54
IP(EA), eV:	-8.39(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethylpropyl N-[5-(5-oxo-1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

COC1=CC2C=C(C(=O)N=C2C=C1OC)CN3CCN(CC3)CC=C

DOS

IR

Vibrations