Geometry & MOs

Info

ID:	330564
PubChem CID:	127247971
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	349.21139
ΔH_f, kcal/mol:	-52.51
Dipole, Da:	2.45
IP(EA), eV:	-8.76(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)CN2CCN(CC(C2)C(=O)NC)C3CCOCC3

DOS

IR

Vibrations