Geometry & MOs

Info

ID:	348853
PubChem CID:	127274501
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	323.220892
ΔH_f, kcal/mol:	-157.26
Dipole, Da:	6.42
IP(EA), eV:	-9.29(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1,4-oxazepan-4-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=C(C3=C(O2)CCCC3=O)C

DOS

IR

Vibrations