Geometry & MOs

Info

ID:	330563
PubChem CID:	127247970
Reduced:	O3N5C17H25 (1)
Stoich.:	A3B5C17D25 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-84.66
Dipole, Da:	2.11
IP(EA), eV:	-9.13(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[(2-methylpyrimidin-4-yl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)C(=O)C2=CN=CN=C2)C3CCOCC3

DOS

IR

Vibrations