Geometry & MOs

Info

ID:	330562
PubChem CID:	127247969
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	347.19574
ΔH_f, kcal/mol:	-63.16
Dipole, Da:	3.25
IP(EA), eV:	-8.65(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(oxan-4-yl)-4-(pyrimidine-5-carbonyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations