Geometry & MOs

Info

ID:	330476
PubChem CID:	127247883
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	335.19574
ΔH_f, kcal/mol:	-63.57
Dipole, Da:	3.49
IP(EA), eV:	-8.69(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylimidazole-2-carbonyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CN2CCN(CC(C2)C(=O)N)C3CCOCC3

DOS

IR

Vibrations