Geometry & MOs

Info

ID:	368294
PubChem CID:	127327878
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	352.193297
ΔH_f, kcal/mol:	-59.67
Dipole, Da:	3.85
IP(EA), eV:	-8.65(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methyloxolan-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N(C)C2CCN(CC2)C(=O)NCC3(CCOC3)C

DOS

IR

Vibrations