Geometry & MOs

Info

ID:	330558
PubChem CID:	127247965
Reduced:	O2N5C16H25 (1)
Stoich.:	A2B5C16D25 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	-49.0
Dipole, Da:	2.81
IP(EA), eV:	-8.94(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(oxan-4-yl)-4-(pyrazin-2-ylmethyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)C2=NC=NC=C2)C3CCOCC3

DOS

IR

Vibrations