Geometry & MOs

Info

ID:	367409
PubChem CID:	127324565
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	15.54
Dipole, Da:	1.82
IP(EA), eV:	-8.9(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=C(C(=N2)C)CN(C)C(=O)NC3CCN(C3)C4CC4)C

DOS

IR

Vibrations