Geometry & MOs

Info

ID:	285330
PubChem CID:	104099082
Reduced:	N5C12H21 (1)
Stoich.:	A5B12C21 (1)
Weight, g/mol:	264.231397
ΔH_f, kcal/mol:	68.73
Dipole, Da:	4.45
IP(EA), eV:	-9.03(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[2-(triazol-1-yl)ethyl]cycloheptan-1-amine

Drug info:

PubChemData

Smile

CC1CC(CN1C2CC2)NCCN3C=CN=N3

DOS

IR

Vibrations